5-Amino-4,6-dichloropyrimidine
TL;DR: 5-Amino-4,6-dichloropyrimidine (CAS 5413-85-4) is a chemical compound with molecular formula C4H3Cl2N3 and molecular weight 162.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloropyrimidin-5-amine
Also Known As: 5-Amino-4,6-dichloropyrimidine, 4,6-dichloropyrimidin-5-amine, 5-Pyrimidinamine, 4,6-dichloro-, 4,6-Dichloro-5-aminopyrimidine, 4,6-Dichloro-5-pyrimidinamine
| Molecular Formula | C4H3Cl2N3 |
|---|---|
| Molecular Weight | 162.97 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.9704 |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 5413-85-4 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)Cl)N)Cl |
| InChIKey | NIGDWBHWHVHOAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-4,6-dichloropyrimidine (CAS 5413-85-4), with molecular formula C4H3Cl2N3 and molecular weight 162.97 g/mol. IUPAC: 4,6-dichloropyrimidin-5-amine.
Chemical Property Profile of 5-Amino-4,6-dichloropyrimidine
Property Insights of 5-Amino-4,6-dichloropyrimidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4,6-dichloropyrimidine. With a topological polar surface area (TPSA) of 51.8 Ų, 5-Amino-4,6-dichloropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-4,6-dichloropyrimidine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Amino-4,6-dichloropyrimidine?
The CAS number of 5-Amino-4,6-dichloropyrimidine is 5413-85-4.
What is the molecular formula of 5-Amino-4,6-dichloropyrimidine?
The molecular formula of 5-Amino-4,6-dichloropyrimidine is C4H3Cl2N3.
What is the molecular weight of 5-Amino-4,6-dichloropyrimidine?
The molecular weight of 5-Amino-4,6-dichloropyrimidine is 162.97 g/mol.
Where can I buy 5-Amino-4,6-dichloropyrimidine?
You can request a quote for 5-Amino-4,6-dichloropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4,6-dichloropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4,6-dichloropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.